ChemSpider 2D Image | 6-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]nicotinonitrile | C10H5F3N4O

6-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]nicotinonitrile

  • Molecular FormulaC10H5F3N4O
  • Average mass254.168 Da
  • Monoisotopic mass254.041550 Da
  • ChemSpider ID47920642

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Pyridinecarbonitrile, 6-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]- [ACD/Index Name]
6-[3-(2,2,2-Trifluorethyl)-1,2,4-oxadiazol-5-yl]nicotinonitril [German] [ACD/IUPAC Name]
6-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]nicotinonitrile [ACD/IUPAC Name]
6-[3-(2,2,2-Trifluoroéthyl)-1,2,4-oxadiazol-5-yl]nicotinonitrile [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 366.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 175.3±30.7 °C
Index of Refraction: 1.521
Molar Refractivity: 51.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.94
ACD/KOC (pH 5.5): 192.88
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.94
ACD/KOC (pH 7.4): 192.88
Polar Surface Area: 76 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 169.3±5.0 cm3

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